About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
2D Materials – Preparation, Properties, Modeling & Applications
|
| Presentation Title |
Stability of two-dimensional high-entropy transition metal dichalcogenide alloys |
| Author(s) |
Cristian Ciobanu, Aditya Deshpande, Christian Ratsch, Suneel Kodambaka |
| On-Site Speaker (Planned) |
Cristian Ciobanu |
| Abstract Scope |
As high-entropy alloying provides an increasingly important avenue for widening the set of functional materials for a variety of applications, it is useful to uncover low-temperature synthesis routes. Focusing on transition-metal dichalcogenides, we present direct evidence from density functional theory calculations that high-entropy disulfide (HES) alloys with five cations from groups 4–6 are thermodynamically stable at temperatures routinely achievable in conventional deposition systems. While all 126 sulfide combinations with five group 4–6 transition metals are thermodynamically favorable at low (<800 K) or medium (<1200 K) temperatures, we show that electronegativities, valence electron concentrations, and atomic radii of cations can help predict whether an HES alloy is stable in the 1-H or the 1-T structure. These results demonstrate facile ways for expanding the materials’ space with potential applications in electrochemical devices, catalysis, energy storage, or sensing. This work was published in Journal of Applied Physics. |
| Proceedings Inclusion? |
Planned: |